Zn2Fe8H
Alexandria ALEXAlex-ID: agm006595041 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_185_spg12
ZnFe3H Zn9Fe4 Fe
2024-03-01 10:59:05.304168
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006595041).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm006595041
data_agm006595041
_cell_length_a 4.70203
_cell_length_b 4.74599
_cell_length_c 6.42128
_cell_angle_alpha 72.41415
_cell_angle_beta 76.74550
_cell_angle_gamma 64.67763
_cell_volume 122.63917
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Zn1 Zn 0.94290 0.24804 0.59636 1.00000
Zn2 Zn 0.05710 0.75196 0.40364 1.00000
Fe1 Fe 0.85089 0.73826 0.81347 1.00000
Fe2 Fe 0.65480 0.72537 0.21798 1.00000
Fe3 Fe 0.45524 0.75576 0.60918 1.00000
Fe4 Fe 0.74678 0.24859 0.00004 1.00000
Fe5 Fe 0.54476 0.24424 0.39082 1.00000
Fe6 Fe 0.34520 0.27463 0.78202 1.00000
Fe7 Fe 0.14911 0.26174 0.18653 1.00000
Fe8 Fe 0.25322 0.75141 0.99996 1.00000
H1 H 0.50000 0.00000 0.00000 1.00000
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